{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.999391 0.940899 0.670463 ] [ 0.499391 0.559101 0.329537 ] [ 0.000609 0.440899 0.829537 ] [ 0.500609 0.059101 0.170463 ] [ 0.976832 0.532832 0.540868 ] [ 0.476832 0.967168 0.459132 ] [ 0.023168 0.032832 0.959132 ] [ 0.523168 0.467168 0.040868 ] [ 0.482862 0.793166 0.916663 ] [ 0.982862 0.706834 0.083337 ] [ 0.517138 0.293166 0.583337 ] [ 0.017138 0.206834 0.416663 ] [ 0.485286 0.662054 0.66092 ] [ 0.985286 0.837946 0.33908 ] [ 0.514714 0.162054 0.83908 ] [ 0.014714 0.337946 0.16092 ] [ 0.332065 0.706125 0.794808 ] [ 0.832065 0.793875 0.205192 ] [ 0.667935 0.206125 0.705192 ] [ 0.167935 0.293875 0.294808 ] [ 0.453001 0.842588 0.580065 ] [ 0.953001 0.657412 0.419935 ] [ 0.546999 0.342588 0.919935 ] [ 0.046999 0.157412 0.080065 ] [ 0.203765 0.850287 0.01072 ] [ 0.703765 0.649713 0.98928 ] [ 0.796235 0.350287 0.48928 ] [ 0.296235 0.149713 0.51072 ] [ 0.829329 0.609751 0.668382 ] [ 0.329329 0.890249 0.331618 ] [ 0.170671 0.109751 0.831618 ] [ 0.670671 0.390249 0.168382 ] [ 0.184398 0.518499 0.093408 ] [ 0.684398 0.981501 0.906592 ] [ 0.815602 0.018499 0.406592 ] [ 0.315602 0.481501 0.593408 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.81413774 "source-unit" "angstrom" } "b" { "source-value" 7.88235708 "source-unit" "angstrom" } "c" { "source-value" 11.31355346 "source-unit" "angstrom" } }